3,738 research outputs found

    Applying forces to elastic network models of large biomolecules using a haptic feedback device

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    Elastic network models of biomolecules have proved to be relatively good at predicting global conformational changes particularly in large systems. Software that facilitates rapid and intuitive exploration of conformational change in elastic network models of large biomolecules in response to externally applied forces would therefore be of considerable use, particularly if the forces mimic those that arise in the interaction with a functional ligand. We have developed software that enables a user to apply forces to individual atoms of an elastic network model of a biomolecule through a haptic feedback device or a mouse. With a haptic feedback device the user feels the response to the applied force whilst seeing the biomolecule deform on the screen. Prior to the interactive session normal mode analysis is performed, or pre-calculated normal mode eigenvalues and eigenvectors are loaded. For large molecules this allows the memory and number of calculations to be reduced by employing the idea of the important subspace, a relatively small space of the first M lowest frequency normal mode eigenvectors within which a large proportion of the total fluctuation occurs. Using this approach it was possible to study GroEL on a standard PC as even though only 2.3% of the total number of eigenvectors could be used, they accounted for 50% of the total fluctuation. User testing has shown that the haptic version allows for much more rapid and intuitive exploration of the molecule than the mouse version

    Tac-tiles: multimodal pie charts for visually impaired users

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    Tac-tiles is an accessible interface that allows visually impaired users to browse graphical information using tactile and audio feedback. The system uses a graphics tablet which is augmented with a tangible overlay tile to guide user exploration. Dynamic feedback is provided by a tactile pin-array at the fingertips, and through speech/non-speech audio cues. In designing the system, we seek to preserve the affordances and metaphors of traditional, low-tech teaching media for the blind, and combine this with the benefits of a digital representation. Traditional tangible media allow rapid, non-sequential access to data, promote easy and unambiguous access to resources such as axes and gridlines, allow the use of external memory, and preserve visual conventions, thus promoting collaboration with sighted colleagues. A prototype system was evaluated with visually impaired users, and recommendations for multimodal design were derived

    Exploration of Reaction Pathways and Chemical Transformation Networks

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    For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

    Touching the invisible: Localizing ultrasonic haptic cues

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    While mid-air gestures offer new possibilities to interact with or around devices, some situations, such as interacting with applications, playing games or navigating, may require visual attention to be focused on a main task. Ultrasonic haptic feedback can provide 3D spatial haptic cues that do not demand visual attention for these contexts. In this paper, we present an initial study of active exploration of ultrasonic haptic virtual points that investigates the spatial localization with and without the use of the visual modality. Our results show that, when providing haptic feedback giving the location of a widget, users perform 50% more accurately compared to providing visual feedback alone. When provided with a haptic location of a widget alone, users are more than 30% more accurate than when given a visual location. When aware of the location of the haptic feedback, active exploration decreased the minimum recommended widget size from 2cm2 to 1cm2 when compared to passive exploration from previous studies. Our results will allow designers to create better mid-air interactions using this new form of haptic feedback

    Feeling what you hear: tactile feedback for navigation of audio graphs

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    Access to digitally stored numerical data is currently very limited for sight impaired people. Graphs and visualizations are often used to analyze relationships between numerical data, but the current methods of accessing them are highly visually mediated. Representing data using audio feedback is a common method of making data more accessible, but methods of navigating and accessing the data are often serial in nature and laborious. Tactile or haptic displays could be used to provide additional feedback to support a point-and-click type interaction for the visually impaired. A requirements capture conducted with sight impaired computer users produced a review of current accessibility technologies, and guidelines were extracted for using tactile feedback to aid navigation. The results of a qualitative evaluation with a prototype interface are also presented. Providing an absolute position input device and tactile feedback allowed the users to explore the graph using tactile and proprioceptive cues in a manner analogous to point-and-click techniques

    Interactive Chemical Reactivity Exploration

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    Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state structures might fail in such situations because of the high-dimensionality of the potential energy surface. Here, we propose the concept of interactive chemical reactivity exploration to effectively introduce the chemist's intuition into the search process. We employ a haptic pointer device with force-feedback to allow the operator the direct manipulation of structures in three dimensions along with simultaneous perception of the quantum mechanical response upon structure modification as forces. We elaborate on the details of how such an interactive exploration should proceed and which technical difficulties need to be overcome. All reactivity-exploration concepts developed for this purpose have been implemented in the Samson programming environment.Comment: 36 pages, 14 figure

    An Introduction to 3D User Interface Design

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    3D user interface design is a critical component of any virtual environment (VE) application. In this paper, we present a broad overview of three-dimensional (3D) interaction and user interfaces. We discuss the effect of common VE hardware devices on user interaction, as well as interaction techniques for generic 3D tasks and the use of traditional two-dimensional interaction styles in 3D environments. We divide most user interaction tasks into three categories: navigation, selection/manipulation, and system control. Throughout the paper, our focus is on presenting not only the available techniques, but also practical guidelines for 3D interaction design and widely held myths. Finally, we briefly discuss two approaches to 3D interaction design, and some example applications with complex 3D interaction requirements. We also present an annotated online bibliography as a reference companion to this article

    Haptic-GeoZui3D: Exploring the Use of Haptics in AUV Path Planning

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    We have developed a desktop virtual reality system that we call Haptic-GeoZui3D, which brings together 3D user interaction and visualization to provide a compelling environment for AUV path planning. A key component in our system is the PHANTOM haptic device (SensAble Technologies, Inc.), which affords a sense of touch and force feedback – haptics – to provide cues and constraints to guide the user’s interaction. This paper describes our system, and how we use haptics to significantly augment our ability to lay out a vehicle path. We show how our system works well for quickly defining simple waypoint-towaypoint (e.g. transit) path segments, and illustrate how it could be used in specifying more complex, highly segmented (e.g. lawnmower survey) paths
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